N-(4-butyl-2-methyl-phenyl)-4-methanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-formyl-piperazine-1-carbothioamide Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C=O)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C=O)C

InChI

InChI=1S/C17H25N3OS/c1-3-4-5-15-6-7-16(14(2)12-15)18-17(22)20-10-8-19(13-21)9-11-20/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,18,22)